Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4A | O75164 | 1/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 3/20 | 0.35 |
| ▸ | CA2 | P00918 | 3/20 | 0.35 |
| ▸ | CA9 | Q16790 | 3/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | GLS | O94925 | 2/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.35 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | NAMPT | P43490 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL28175608 | 0.89 | CA12 (0.41) | KDM4APDE10ACA1CA2CA9 | |
| SCHEMBL21738035 | 0.76 | HTT (0.47) | CA1CA2LMNAPOLBMEN1 | |
| SCHEMBL28813639 | 0.72 | GLS (0.43) | KDM4ACA1CA2CA9CA12 | |
| SCHEMBL1585659 | 0.70 | L3MBTL1 (0.47) | KDM4AHDAC3HDAC1HDAC6PDPK1 | |
| Ethoxycarbonyl Group SCHEMBL27794731 | 0.70 | AKT1 (0.36) | PDPK1 | |
| SCHEMBL25063332 | 0.69 | GAA (0.44) | KDM4ACA1CA2CA9CA12 | |
| SCHEMBL8052690 | 0.69 | HDAC3 (0.46) | KDM4ACA1CA2CA9CA12 | |
| SCHEMBL26328784 | 0.68 | KDM4E (0.43) | KDM4ACA1CA2CA9CA12 | |
| Ethoxycarbonyl Group SCHEMBL28110990 | 0.67 | CTSK (0.37) | CA1CA2CA12KDM4EMEN1 | |
| Ethoxycarbonyl Group SCHEMBL27667512 | 0.67 | KDM4E (0.31) | KDM4E |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103917528-B | PYRIMIDINE PDE10 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-04-20 | — | — | CN | disclosed |
| CN-104395324-A | Imidazo-oxadiazole and imidazo-thiadiazole derivatives | ARES TRADING SA | 2015-03-04 | — | — | CN | disclosed |
| CN-103917528-A | Pyrimidine PDE10 inhibitors | MERCK SHARP & DOHME | 2014-07-09 | — | — | CN | disclosed |